2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole

C18H24F2N4 — CID 154766136

IUPAC2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCC(N2CCC2)CC1
InChIInChI=1S/C18H24F2N4/c1-13(22-11-7-14(8-12-22)23-9-4-10-23)17-21-15-5-2-3-6-16(15)24(17)18(19)20/h2-3,5-6,13-14,18H,4,7-12H2,1H3
InChIKeyABHHWHNJITZEMF-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.66
Rot. Bonds4

About 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole

2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole (PubChem CID 154766136) has the molecular formula C18H24F2N4 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
PubChem CID154766136
Molecular FormulaC18H24F2N4
Molecular Weight334.41 g/mol
Exact Mass334.20
IUPAC Name2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCC(N2CCC2)CC1
InChIInChI=1S/C18H24F2N4/c1-13(22-11-7-14(8-12-22)23-9-4-10-23)17-21-15-5-2-3-6-16(15)24(17)18(19)20/h2-3,5-6,13-14,18H,4,7-12H2,1H3
InChIKeyABHHWHNJITZEMF-UHFFFAOYSA-N
XLogP3.66
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole?
The IUPAC name of 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole (CID 154766136) is 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole.
What is the SMILES notation for 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole?
The canonical SMILES for 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole is CC(c1nc2ccccc2n1C(F)F)N1CCC(N2CCC2)CC1.
What is the InChIKey of 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole?
The InChIKey is ABHHWHNJITZEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4/c1-13(22-11-7-14(8-12-22)23-9-4-10-23)17-21-15-5-2-3-6-16(15)24(17)18(19)20/h2-3,5-6,13-14,18H,4,7-12H2,1H3.
What are the key properties of 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole?
2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole has a molecular weight of 334.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole is sourced from PubChem (CID 154766136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).